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m-Aminoacetanilide → {2-[3-(3-Acetylamino-phenyl)-3-(3-methyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

HRID 183425
Notes
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Reaction equation

HRID 183425 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[cH:22][c:23]([NH:27][C:28]([CH3:29])=[O:30])[cH:24][cH:25][cH:26]2)[s:11]1)=[O:31].[CH2:76]([O:77][C:78](=[O:79])[CH2:80][S:81][c:82]1[s:83][c:84]([NH2:85])[n:86][cH:87]1)[CH3:88].[CH3:70][CH:71]([CH2:72][CH:73]=[O:74])[CH3:75].[CH:32]1([CH2:33][N:34]([c:35]2[cH:36][cH:37][c:38]([F:39])[c:40]([F:41])[cH:42]2)[C:43](=[O:44])[NH:45][c:46]2[s:47][cH:48][c:49]([CH2:50][C:51]([OH:52])=[O:53])[n:54]2)[CH2:55][CH2:56][CH2:57][CH2:58]1.[NH2:59][c:60]1[cH:61][c:62]([NH:63][C:64](=[O:65])[CH3:66])[cH:67][cH:68][cH:69]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[cH:22][c:23]([NH:27][C:28]([CH3:29])=[O:30])[cH:24][cH:25][cH:26]2)[s:11]1)[OH:31]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 7604m-AminoacetanilideHCID 115523-MethylbutanalHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 86629907{2-[3-(3-Acetylamino-phenyl)-3-(3-methyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester

Product 1

HCID 57668406
{2-[3-(3-Acetylamino-phenyl)-3-(3-methyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Sources & evidence

ORD record
ord-1e9cab5f9fe34e6aaaf80bf1cdac9e59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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